9-[1-(2-aminoethyl)pyrazol-4-yl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one

C17H16N4O2S — CID 67450011

IUPAC9-[1-(2-aminoethyl)pyrazol-4-yl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
SMILESCOc1ccc2[nH]c(=O)c3sccc3c2c1-c1cnn(CCN)c1
InChIInChI=1S/C17H16N4O2S/c1-23-13-3-2-12-15(11-4-7-24-16(11)17(22)20-12)14(13)10-8-19-21(9-10)6-5-18/h2-4,7-9H,5-6,18H2,1H3,(H,20,22)
InChIKeyQGZLFHAIPSCBDR-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.57
Rot. Bonds4

About 9-[1-(2-aminoethyl)pyrazol-4-yl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one

9-[1-(2-aminoethyl)pyrazol-4-yl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one (PubChem CID 67450011) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 9-[1-(2-aminoethyl)pyrazol-4-yl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one.

Molecular Properties

Compound Name9-[1-(2-aminoethyl)pyrazol-4-yl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
PubChem CID67450011
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name9-[1-(2-aminoethyl)pyrazol-4-yl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
SMILESCOc1ccc2[nH]c(=O)c3sccc3c2c1-c1cnn(CCN)c1
InChIInChI=1S/C17H16N4O2S/c1-23-13-3-2-12-15(11-4-7-24-16(11)17(22)20-12)14(13)10-8-19-21(9-10)6-5-18/h2-4,7-9H,5-6,18H2,1H3,(H,20,22)
InChIKeyQGZLFHAIPSCBDR-UHFFFAOYSA-N
XLogP2.57
TPSA85.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(8-methoxythieno[2,3-c]quinolin-9-yl)pyrazol-1-yl]ethanamine
CID 141424185
9-[4-(1-aminobutyl)phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 163590116
8-methoxy-9-[4-[1-(methylamino)ethyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one
CID 67447737
1-[4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]ethanesulfonamide
CID 67450131
9-[4-[hydroxy(1,3-thiazol-2-yl)methyl]phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 67449091
9-[4-[2-(dimethylamino)ethyl]phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 67448089
9-[4-(ethylaminomethyl)phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 67450179
8-methoxy-9-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-thieno[2,3-c]quinolin-4-one
CID 67447559
9-(2-amino-2,3-dihydro-1H-inden-5-yl)-8-methoxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
CID 118194228
9-[1-[1-(dimethylamino)propan-2-yl]pyrazol-3-yl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 118194197
9-[4-[2-(2-aminocyclopentyl)ethyl]phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 67449221
tert-butyl N-[2-[4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]butyl]carbamate
CID 67449971

Frequently Asked Questions

What is the IUPAC name of 9-[1-(2-aminoethyl)pyrazol-4-yl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one?
The IUPAC name of 9-[1-(2-aminoethyl)pyrazol-4-yl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one (CID 67450011) is 9-[1-(2-aminoethyl)pyrazol-4-yl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one.
What is the SMILES notation for 9-[1-(2-aminoethyl)pyrazol-4-yl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one?
The canonical SMILES for 9-[1-(2-aminoethyl)pyrazol-4-yl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one is COc1ccc2[nH]c(=O)c3sccc3c2c1-c1cnn(CCN)c1.
What is the InChIKey of 9-[1-(2-aminoethyl)pyrazol-4-yl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one?
The InChIKey is QGZLFHAIPSCBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-23-13-3-2-12-15(11-4-7-24-16(11)17(22)20-12)14(13)10-8-19-21(9-10)6-5-18/h2-4,7-9H,5-6,18H2,1H3,(H,20,22).
What are the key properties of 9-[1-(2-aminoethyl)pyrazol-4-yl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one?
9-[1-(2-aminoethyl)pyrazol-4-yl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one has a molecular weight of 340.41 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-(2-aminoethyl)pyrazol-4-yl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one is sourced from PubChem (CID 67450011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).